SCHEMBL12355356

SCHEMBL12355356

CCC(C)COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.61
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
GAA P10253 2/20 0.50
MGLL Q99685 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPT P10636 5/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
ADRB2 P07550 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21097206 1.00 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL763026 0.94 HTR2A (0.64) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL2597348 0.88 HTR2A (0.64) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL14985547 0.87 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21097202 0.87 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL13108205 0.87 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL7411825 0.86 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21097372 0.85 HTR2A (0.55) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL27355874 0.84 HTR2A (0.60) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL15760497 0.83 HTR2A (0.58) HTR2ABCL9CTNNB1GAAMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150258206-A1 GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES NOVO NORDISK AS (DK) 2015-09-17 US disclosed
US-8911967-B2 One pot desialylation and glycopegylation of therapeutic peptides NOVO NORDISK A/S (DK) 2014-12-16 US disclosed
US-8828373-B2 Polyalkylene glycol derivative and modified bio-related substance NOF CORPORATION (JP) 2014-09-09 US disclosed
US-20130137157-A1 GLYCOPEGYLATED FACTOR VII AND FACTOR VIIA NOVO NORDISK A/S (DK) 2013-05-30 US disclosed
US-8003117-B2 Purity; polyether containing glycerol backbone capable of being label NOF CORPORATION (JP) 2011-08-23 US disclosed
US-20100330645-A1 ONE POT DESIALYLATION AND GLYCOPEGYLATION OF THERAPEUTIC PEPTIDES NOVO NORDISK A/S (DK) 2010-12-30 US disclosed
US-7851491-B2 Modified bio-related substance, process for producing the same, and intermediate NOF CORPORATION (JP) 2010-12-14 US disclosed
US-20100113743-A1 GLYCOPEGYLATED FACTOR VII AND FACTOR VIIA NOVO NORDISK A/S (DK) 2010-05-06 US disclosed
US-20100041872-A1 GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
US-20100009902-A1 Glycoconjugation Using Saccharyl Fragments NEOSE TECHNOLOGIES, INC. (US) 2010-01-14 US disclosed
US-20090305967-A1 GLYCOPEGYLATED FACTOR VII AND FACTOR VIIA NOVO NORDISK A/S (DK) 2009-12-10 US disclosed
US-20090192320-A1 MODIFIED BIO-RELATED SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATE NOF CORPORATION (JP) 2009-07-30 US disclosed
US-7524875-B2 Modified bio-related substance, process for producing the same, and intermediate NOF CORPORATION (JP) 2009-04-28 US disclosed
US-20080146782-A1 GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES NEOSE TECHNOLOGIES, INC. (US) 2008-06-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192320-A1 MODIFIED BIO-RELATED SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATE BMP1, BMP2, AQP1 HTR2A 1279/4885BCL9 1047/4885CTNNB1 2292/4885
US-20090305967-A1 GLYCOPEGYLATED FACTOR VII AND FACTOR VIIA F7, F13B, F13A1 HTR2A 4574/4885BCL9 2805/4885CTNNB1 4852/4885
US-20080146782-A1 GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES UGCG, B3GAT3, UGGT1 HTR2A 4652/4885BCL9 2105/4885CTNNB1 4803/4885
US-20100009902-A1 Glycoconjugation Using Saccharyl Fragments B3GAT3, UGGT1, UGCG HTR2A 4414/4885BCL9 3414/4885CTNNB1 4870/4885
US-20100113743-A1 GLYCOPEGYLATED FACTOR VII AND FACTOR VIIA F7, F13B, F13A1 HTR2A 4574/4885BCL9 2805/4885CTNNB1 4852/4885
US-20100041872-A1 GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES UGCG, B3GAT3, UGGT1 HTR2A 4652/4885BCL9 2105/4885CTNNB1 4803/4885
US-20150258206-A1 GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES UGCG, B3GAT3, UGGT1 HTR2A 4652/4885BCL9 2105/4885CTNNB1 4803/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.